1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine

C17H27ClN2O2 — CID 171308877

IUPAC1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1ccc(OC)c(OC)c1Cl)N1CCNCC1
InChIInChI=1S/C17H27ClN2O2/c1-4-5-6-14(20-11-9-19-10-12-20)13-7-8-15(21-2)17(22-3)16(13)18/h7-8,14,19H,4-6,9-12H2,1-3H3/t14-/m0/s1
InChIKeyAGCAZYPYNZWZHS-AWEZNQCLSA-N
MW326.87 g/mol
LogP3.49
Rot. Bonds7

About 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine

1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine (PubChem CID 171308877) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine
PubChem CID171308877
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine
SMILESCCCC[C@@H](c1ccc(OC)c(OC)c1Cl)N1CCNCC1
InChIInChI=1S/C17H27ClN2O2/c1-4-5-6-14(20-11-9-19-10-12-20)13-7-8-15(21-2)17(22-3)16(13)18/h7-8,14,19H,4-6,9-12H2,1-3H3/t14-/m0/s1
InChIKeyAGCAZYPYNZWZHS-AWEZNQCLSA-N
XLogP3.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163637
1-[(1R)-1-(5-chloro-2-methoxyphenyl)pentyl]piperazine
CID 171308385
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3,3-difluoropropyl]piperazine
CID 171178940
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
1-[(1R)-1-(2,4,5-trimethoxyphenyl)pentyl]piperazine
CID 171307378
1-[(1S)-1-(5-fluoro-2-methoxyphenyl)pentyl]piperazine;hydrochloride
CID 171164755
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290
1-[(1S)-1-(3,4-dimethoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171308662
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[1-(2,4-dichlorophenyl)pentyl]piperazine
CID 5226884
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)pentyl]piperazine
CID 171163686

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine (CID 171308877) is 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine is CCCC[C@@H](c1ccc(OC)c(OC)c1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine?
The InChIKey is AGCAZYPYNZWZHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27ClN2O2/c1-4-5-6-14(20-11-9-19-10-12-20)13-7-8-15(21-2)17(22-3)16(13)18/h7-8,14,19H,4-6,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine?
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine has a molecular weight of 326.87 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine is sourced from PubChem (CID 171308877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).